sodium N-cyclopropylsulfamate

C3H6NNaO3S — CID 67465512

IUPACsodium N-cyclopropylsulfamate
SMILESO=S(=O)([O-])NC1CC1.[Na+]
InChIInChI=1S/C3H7NO3S.Na/c5-8(6,7)4-3-1-2-3;/h3-4H,1-2H2,(H,5,6,7);/q;+1/p-1
InChIKeyCWCCBKCWIWLMNV-UHFFFAOYSA-M
MW159.14 g/mol
LogP-3.80
Rot. Bonds2

About sodium N-cyclopropylsulfamate

sodium N-cyclopropylsulfamate (PubChem CID 67465512) has the molecular formula C3H6NNaO3S and a molecular weight of 159.14 g/mol. Its IUPAC name is sodium N-cyclopropylsulfamate.

Molecular Properties

Compound Namesodium N-cyclopropylsulfamate
PubChem CID67465512
Molecular FormulaC3H6NNaO3S
Molecular Weight159.14 g/mol
Exact Mass159.00
IUPAC Namesodium N-cyclopropylsulfamate
SMILESO=S(=O)([O-])NC1CC1.[Na+]
InChIInChI=1S/C3H7NO3S.Na/c5-8(6,7)4-3-1-2-3;/h3-4H,1-2H2,(H,5,6,7);/q;+1/p-1
InChIKeyCWCCBKCWIWLMNV-UHFFFAOYSA-M
XLogP-3.80
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-3.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium N-cyclopropylsulfamate?
The IUPAC name of sodium N-cyclopropylsulfamate (CID 67465512) is sodium N-cyclopropylsulfamate.
What is the SMILES notation for sodium N-cyclopropylsulfamate?
The canonical SMILES for sodium N-cyclopropylsulfamate is O=S(=O)([O-])NC1CC1.[Na+].
What is the InChIKey of sodium N-cyclopropylsulfamate?
The InChIKey is CWCCBKCWIWLMNV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO3S.Na/c5-8(6,7)4-3-1-2-3;/h3-4H,1-2H2,(H,5,6,7);/q;+1/p-1.
What are the key properties of sodium N-cyclopropylsulfamate?
sodium N-cyclopropylsulfamate has a molecular weight of 159.14 g/mol, XLogP of -3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-cyclopropylsulfamate is sourced from PubChem (CID 67465512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).